SCHEMBL4499324

SCHEMBL4499324

O=C1C(Cc2ccc(OCCOCc3ccccc3)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
S1PR1 P21453 1/20 0.40
PRKX P51817 1/20 0.40
ACVR1 Q04771 1/20 0.40
S1PR5 Q9H228 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
CYP2D6 P10635 2/20 0.38
FOXM1 Q08050 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 1/20 0.35
PRKDC P78527 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4513272 0.96 HSD11B1 (0.54) HSD11B1S1PR1PRKXACVR1S1PR5
SCHEMBL4519338 0.92 HSD11B1 (0.60) HSD11B1S1PR1PRKXACVR1S1PR5
SCHEMBL4516252 0.91 HSD11B1 (0.55) HSD11B1S1PR1PRKXACVR1S1PR5
SCHEMBL14365235 0.90 HSD11B1 (0.41) HSD11B1S1PR1PRKXACVR1S1PR5
SCHEMBL4510560 0.90 HSD11B1 (0.41) HSD11B1S1PR1PRKXACVR1S1PR5
SCHEMBL5547531 0.88 HSD11B1 (0.40) HSD11B1S1PR1PRKXACVR1S1PR5
SCHEMBL4503437 0.87 HSD11B1 (0.42) HSD11B1MAOAMAOB
SCHEMBL13675721 0.86 HSD11B1 (0.44) HSD11B1HRH3
SCHEMBL4514386 0.85 HSD11B1 (0.46) HSD11B1HRH3CYP2D6
SCHEMBL4525800 0.84 HSD11B1 (0.47) HSD11B1S1PR1HRH3CYP2C9ADRA1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885S1PR1 521/4885PRKX 3496/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.